General
Preferred name
WZ8040
Synonyms
WZ-8040 ()
P&D ID
PD003311
CAS
1214265-57-2
Tags
available
covalent binder
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION inhibitor of EGFR targeting T790M resistance (Informer Set)
DESCRIPTION WZ8040 is a novel mutant-selective irreversible EGFRT790M inhibitor with potential anticancer activity. WZ8040 is about 30-fold more potent against EGFR T790M, and up to 100-fold less potent against wild-type EGFR, than other quinazoline-based EGFR inhibitors such as CL-387785 and HKI-272. WZ-8040 may be clinically more effective and better tolerated than quinazoline-based inhibitors. (BOC Sciences Bioactive Compounds)
Cell lines
3
Organisms
0
Compound Sets
9
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
CovalentInDB
Drug Repurposing Hub
EUbOPEN Chemogenomics Library
Informer Set
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
480.15
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
3
cLogP
4.9
TPSA
73.39
Fraction CSP3
0.21
Chiral centers
0.0
Largest ring
6.0
QED
0.37
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
EGFR
EGFR (T790M)
Compound status
probe
Pathway
Angiogenesis
JAK/STAT Signaling
Tyrosine Kinase/Adaptors
Protein Tyrosine Kinase/RTK
MOA
EGFR inhibitor
Recommended Cell Concentration
None
Source data